6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one

C10H8ClF10NO2 — CID 3089654

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C10H8ClF10NO2/c11-10(20,21)9(18,19)8(16,17)7(14,15)6(12,13)5(23)22-1-3-24-4-2-22/h1-4H2
InChIKeyAUBCGRPWFCHYBW-UHFFFAOYSA-N
MW399.61 g/mol
LogP3.22
Rot. Bonds5

About 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one (PubChem CID 3089654) has the molecular formula C10H8ClF10NO2 and a molecular weight of 399.61 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one
PubChem CID3089654
Molecular FormulaC10H8ClF10NO2
Molecular Weight399.61 g/mol
Exact Mass399.01
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C10H8ClF10NO2/c11-10(20,21)9(18,19)8(16,17)7(14,15)6(12,13)5(23)22-1-3-24-4-2-22/h1-4H2
InChIKeyAUBCGRPWFCHYBW-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.61
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one (CID 3089654) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one is O=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one?
The InChIKey is AUBCGRPWFCHYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF10NO2/c11-10(20,21)9(18,19)8(16,17)7(14,15)6(12,13)5(23)22-1-3-24-4-2-22/h1-4H2.
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one has a molecular weight of 399.61 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 3089654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).